METHYL 3,11-DIOXOPREGNA-4,17(20)-DIEN-21-OATE (Z)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H28O4
Molecular Weight	356.4553
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of METHYL 3,11-DIOXOPREGNA-4,17(20)-DIEN-21-OATE (Z)-

Structure Search

SMILES

COC(=O)\C=C1\CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C

InChI

InChIKey=MVLYYRYIEZOWIZ-FLMHVLNXSA-N

InChI=1S/C22H28O4/c1-21-9-8-15(23)10-13(21)4-6-16-17-7-5-14(11-19(25)26-3)22(17,2)12-18(24)20(16)21/h10-11,16-17,20H,4-9,12H2,1-3H3/b14-11-/t16-,17-,20+,21-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H28O4
Molecular Weight	356.4553
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:27:45 GMT 2025` Edited by `admin` on `Mon Mar 31 21:27:45 GMT 2025`
Record UNII	00V0B42E5V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYL 3,11-DIOXOPREGNA-4,17(20)-DIEN-21-OATE (Z)-

Common Name

English

NSC-3352

Preferred Name

English

PREGNA-4,17(20)-DIEN-21-OIC ACID, 3,11-DIOXO-, METHYL ESTER, (Z)-

Common Name

English

U-2726

Code

English

PREGNA-4,17(20)-DIEN-21-OIC ACID, 3,11-DIOXO-, METHYL ESTER, (17Z)-

Common Name

English

Code System Code Type Description

PUBCHEM

5354212